Mol:113a FLIC
From Metabolomics.JP
ACD/Labs11200716302D 24 27 0 0 1 0 0 0 0 0 1 V2000 25.9411 -8.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9411 -9.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7892 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7892 -10.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6375 -8.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6375 -9.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2448 -8.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2448 -9.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0929 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0929 -10.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3967 -6.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3967 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2448 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0930 -6.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5486 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5486 -4.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7006 -6.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7006 -3.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8524 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8524 -4.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0043 -3.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7006 -7.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4856 -9.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2830 -10.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 2 1 1 0 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 7 12 1 0 0 0 0 14 13 1 0 0 0 0 9 14 1 0 0 0 0 16 15 1 0 0 0 0 17 15 2 0 0 0 0 18 16 2 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 20 19 2 0 0 0 0 11 15 1 1 0 0 0 20 21 1 0 0 0 0 17 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 S SKP 5 ID Glabridin FORMULA C20H20O4 EXACTMASS 324.136159128 AVERAGEMASS 324.37039999999996 SMILES Oc(c4)cc(O)c(c4)C(C3)Cc(c2)c(O3)c(C=1)c(c2)OC(C)(C)C1 M END
